2-cyclopropyl-1-[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one

C24H24FN7O2 — CID 155203194

IUPAC2-cyclopropyl-1-[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
SMILESO=c1c2cnc(Nc3ccc4c(c3)CNCC4)nc2n(-c2nc(C3(CF)CC3)co2)n1C1CC1
InChIInChI=1S/C24H24FN7O2/c25-13-24(6-7-24)19-12-34-23(29-19)32-20-18(21(33)31(32)17-3-4-17)11-27-22(30-20)28-16-2-1-14-5-8-26-10-15(14)9-16/h1-2,9,11-12,17,26H,3-8,10,13H2,(H,27,28,30)
InChIKeyQBTDPRVAOYSGES-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.30
Rot. Bonds6

About 2-cyclopropyl-1-[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one

2-cyclopropyl-1-[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 155203194) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
PubChem CID155203194
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC Name2-cyclopropyl-1-[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
SMILESO=c1c2cnc(Nc3ccc4c(c3)CNCC4)nc2n(-c2nc(C3(CF)CC3)co2)n1C1CC1
InChIInChI=1S/C24H24FN7O2/c25-13-24(6-7-24)19-12-34-23(29-19)32-20-18(21(33)31(32)17-3-4-17)11-27-22(30-20)28-16-2-1-14-5-8-26-10-15(14)9-16/h1-2,9,11-12,17,26H,3-8,10,13H2,(H,27,28,30)
InChIKeyQBTDPRVAOYSGES-UHFFFAOYSA-N
XLogP3.30
TPSA102.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-cyclopropyl-1-[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one with MolForge

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Related Compounds

2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]pyrazolo[3,4-d]pyrimidin-3-one
CID 155202774
2-cyclopropyl-1-[4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 155204310
2-cyclopropyl-1-(5-fluoro-2-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138537290
2-cyclopropyl-6-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-1-[4-(1-methylcyclopropyl)-1,3-oxazol-2-yl]pyrazolo[3,4-d]pyrimidin-3-one;2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-oxazol-2-yl]-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;6-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-1-[4-(1-methylcyclopropyl)-1,3-oxazol-2-yl]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;1-[4-(1-methylcyclopropyl)-1,3-oxazol-2-yl]-2-propan-2-yl-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-[4-(1-methylcyclopropyl)-1,3-oxazol-2-yl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 165070885
2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one
CID 155202758
2-cyclopropyl-1-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536457
1-(6-chloro-2-pyridinyl)-2-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536062
2-cyclopropyl-1-(1-cyclopropylpyrazol-3-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138537801
2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 165103163
1-[3-fluoro-6-[1-(fluoromethyl)cyclopropyl]-2-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidin-3-one
CID 167017713
2-cyclopropyl-1-[2-(3-hydroxyoxetan-3-yl)-4-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536702
1-[2-[2-ethyl-3-oxo-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-1,3-oxazol-4-yl]cyclopropane-1-carbonitrile
CID 163261431

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 2-cyclopropyl-1-[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one (CID 155203194) is 2-cyclopropyl-1-[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 2-cyclopropyl-1-[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 2-cyclopropyl-1-[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one is O=c1c2cnc(Nc3ccc4c(c3)CNCC4)nc2n(-c2nc(C3(CF)CC3)co2)n1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is QBTDPRVAOYSGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c25-13-24(6-7-24)19-12-34-23(29-19)32-20-18(21(33)31(32)17-3-4-17)11-27-22(30-20)28-16-2-1-14-5-8-26-10-15(14)9-16/h1-2,9,11-12,17,26H,3-8,10,13H2,(H,27,28,30).
What are the key properties of 2-cyclopropyl-1-[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one?
2-cyclopropyl-1-[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 461.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 155203194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).